data_19335 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19335 _Entry.Title ; NMR assignments and relaxation of 5P12-RANTES-E66S ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-03 _Entry.Accession_date 2013-07-03 _Entry.Last_release_date 2014-02-04 _Entry.Original_release_date 2014-02-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'H, N, CA, CB and C assignments, T1, T2 and heteronuclear NOEs of 5P12-RANTES-E66S with cyclic N-terminal Q0' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Maciej Wiktor . . . 19335 2 Stephan Grzesiek . . . 19335 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19335 heteronucl_NOEs 1 19335 heteronucl_T1_relaxation 1 19335 heteronucl_T2_relaxation 1 19335 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 184 19335 '15N chemical shifts' 68 19335 '1H chemical shifts' 63 19335 'heteronuclear NOE values' 63 19335 'T1 relaxation values' 63 19335 'T2 relaxation values' 63 19335 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-02-04 2013-07-03 original author . 19335 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19336 '5P12-RANTES-E66S in the presence of dodecylphosphocholine' 19335 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19335 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24314089 _Citation.Full_citation . _Citation.Title 'Characterization of structure, dynamics, and detergent interactions of the anti-HIV chemokine variant 5P12-RANTES' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophys. J.' _Citation.Journal_name_full . _Citation.Journal_volume 105 _Citation.Journal_issue 11 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2586 _Citation.Page_last 2597 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Maciej Wiktor . . . 19335 1 2 Oliver Hartley . . . 19335 1 3 Stephan Grzesiek . . . 19335 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'detergent-induced helix formation' 19335 1 dodecylphosphocholine 19335 1 HIV/AIDS 19335 1 microbicide 19335 1 'protein-detergent interaction' 19335 1 'secondary structure' 19335 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19335 _Assembly.ID 1 _Assembly.Name 5P12-RANTES-E66S _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 7884.1 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 5P12-RANTES-E66S 1 $5P12-RANTES-E66S A . yes native no no . . . 19335 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_5P12-RANTES-E66S _Entity.Sf_category entity _Entity.Sf_framecode 5P12-RANTES-E66S _Entity.Entry_ID 19335 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 5P12-RANTES-E66S _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; QGPPLMATQSCCFAYIARPL PRAHIKEYFYTSGKCSNPAV VFVTRKNRQVCANPEKKWVR EYINSLSMS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 0,Q 1,G 2,P 3,P ...... 66,S 67,M 68,S ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19336 . 5P12-RANTES-E66S . . . . . 100.00 69 100.00 100.00 3.55e-43 . . . . 19335 1 2 no GB AAN76984 . "RANTES [Macaca mulatta]" . . . . . 71.01 50 100.00 100.00 2.90e-27 . . . . 19335 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 0 GLN . 19335 1 2 1 GLY . 19335 1 3 2 PRO . 19335 1 4 3 PRO . 19335 1 5 4 LEU . 19335 1 6 5 MET . 19335 1 7 6 ALA . 19335 1 8 7 THR . 19335 1 9 8 GLN . 19335 1 10 9 SER . 19335 1 11 10 CYS . 19335 1 12 11 CYS . 19335 1 13 12 PHE . 19335 1 14 13 ALA . 19335 1 15 14 TYR . 19335 1 16 15 ILE . 19335 1 17 16 ALA . 19335 1 18 17 ARG . 19335 1 19 18 PRO . 19335 1 20 19 LEU . 19335 1 21 20 PRO . 19335 1 22 21 ARG . 19335 1 23 22 ALA . 19335 1 24 23 HIS . 19335 1 25 24 ILE . 19335 1 26 25 LYS . 19335 1 27 26 GLU . 19335 1 28 27 TYR . 19335 1 29 28 PHE . 19335 1 30 29 TYR . 19335 1 31 30 THR . 19335 1 32 31 SER . 19335 1 33 32 GLY . 19335 1 34 33 LYS . 19335 1 35 34 CYS . 19335 1 36 35 SER . 19335 1 37 36 ASN . 19335 1 38 37 PRO . 19335 1 39 38 ALA . 19335 1 40 39 VAL . 19335 1 41 40 VAL . 19335 1 42 41 PHE . 19335 1 43 42 VAL . 19335 1 44 43 THR . 19335 1 45 44 ARG . 19335 1 46 45 LYS . 19335 1 47 46 ASN . 19335 1 48 47 ARG . 19335 1 49 48 GLN . 19335 1 50 49 VAL . 19335 1 51 50 CYS . 19335 1 52 51 ALA . 19335 1 53 52 ASN . 19335 1 54 53 PRO . 19335 1 55 54 GLU . 19335 1 56 55 LYS . 19335 1 57 56 LYS . 19335 1 58 57 TRP . 19335 1 59 58 VAL . 19335 1 60 59 ARG . 19335 1 61 60 GLU . 19335 1 62 61 TYR . 19335 1 63 62 ILE . 19335 1 64 63 ASN . 19335 1 65 64 SER . 19335 1 66 65 LEU . 19335 1 67 66 SER . 19335 1 68 67 MET . 19335 1 69 68 SER . 19335 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLN 1 1 19335 1 . GLY 2 2 19335 1 . PRO 3 3 19335 1 . PRO 4 4 19335 1 . LEU 5 5 19335 1 . MET 6 6 19335 1 . ALA 7 7 19335 1 . THR 8 8 19335 1 . GLN 9 9 19335 1 . SER 10 10 19335 1 . CYS 11 11 19335 1 . CYS 12 12 19335 1 . PHE 13 13 19335 1 . ALA 14 14 19335 1 . TYR 15 15 19335 1 . ILE 16 16 19335 1 . ALA 17 17 19335 1 . ARG 18 18 19335 1 . PRO 19 19 19335 1 . LEU 20 20 19335 1 . PRO 21 21 19335 1 . ARG 22 22 19335 1 . ALA 23 23 19335 1 . HIS 24 24 19335 1 . ILE 25 25 19335 1 . LYS 26 26 19335 1 . GLU 27 27 19335 1 . TYR 28 28 19335 1 . PHE 29 29 19335 1 . TYR 30 30 19335 1 . THR 31 31 19335 1 . SER 32 32 19335 1 . GLY 33 33 19335 1 . LYS 34 34 19335 1 . CYS 35 35 19335 1 . SER 36 36 19335 1 . ASN 37 37 19335 1 . PRO 38 38 19335 1 . ALA 39 39 19335 1 . VAL 40 40 19335 1 . VAL 41 41 19335 1 . PHE 42 42 19335 1 . VAL 43 43 19335 1 . THR 44 44 19335 1 . ARG 45 45 19335 1 . LYS 46 46 19335 1 . ASN 47 47 19335 1 . ARG 48 48 19335 1 . GLN 49 49 19335 1 . VAL 50 50 19335 1 . CYS 51 51 19335 1 . ALA 52 52 19335 1 . ASN 53 53 19335 1 . PRO 54 54 19335 1 . GLU 55 55 19335 1 . LYS 56 56 19335 1 . LYS 57 57 19335 1 . TRP 58 58 19335 1 . VAL 59 59 19335 1 . ARG 60 60 19335 1 . GLU 61 61 19335 1 . TYR 62 62 19335 1 . ILE 63 63 19335 1 . ASN 64 64 19335 1 . SER 65 65 19335 1 . LEU 66 66 19335 1 . SER 67 67 19335 1 . MET 68 68 19335 1 . SER 69 69 19335 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19335 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $5P12-RANTES-E66S . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19335 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 19335 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $5P12-RANTES-E66S . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pGEV2 . . . . . . 19335 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19335 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 5P12-RANTES-E66S '[U-98% 13C; U-98% 15N]' . . 1 $5P12-RANTES-E66S . . 0.6 . . mM . . . . 19335 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19335 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19335 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19335 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19335 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19335 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 3.8 . pH 19335 1 pressure 1 . atm 19335 1 temperature 273 . K 19335 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19335 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19335 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19335 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19335 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19335 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19335 2 'data analysis' 19335 2 'peak picking' 19335 2 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 19335 _Software.ID 3 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 19335 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19335 3 'peak picking' 19335 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19335 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19335 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 19335 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 19335 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19335 1 2 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19335 1 3 '3D CBCANH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19335 1 4 '15N T1' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19335 1 5 '15N T2' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19335 1 6 '{1H}-15N NOE' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19335 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19335 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19335 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.689 internal indirect 0.251449530 . . . . . . . . . 19335 1 H 1 water protons . . . . ppm 4.689 internal direct 1.000000000 . . . . . . . . . 19335 1 N 15 water protons . . . . ppm 4.689 internal indirect 0.101329118 . . . . . . . . . 19335 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19335 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCO' 1 $sample_1 . 19335 1 3 '3D CBCANH' 1 $sample_1 . 19335 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN H H 1 7.893 . . . . . . . 0 Gln H . 19335 1 2 . 1 1 1 1 GLN C C 13 178.122 . . . . . . . 0 Gln C . 19335 1 3 . 1 1 1 1 GLN CA C 13 59.891 . . . . . . . 0 Gln CA . 19335 1 4 . 1 1 1 1 GLN CB C 13 28.003 . . . . . . . 0 Gln CB . 19335 1 5 . 1 1 1 1 GLN N N 15 125.186 . . . . . . . 0 Gln N . 19335 1 6 . 1 1 2 2 GLY H H 1 8.334 . . . . . . . 1 Gly H . 19335 1 7 . 1 1 2 2 GLY CA C 13 44.367 . . . . . . . 1 Gly CA . 19335 1 8 . 1 1 2 2 GLY N N 15 109.356 . . . . . . . 1 Gly N . 19335 1 9 . 1 1 4 4 PRO N N 15 31.816 . . . . . . . 3 Pro N . 19335 1 10 . 1 1 5 5 LEU H H 1 8.196 . . . . . . . 4 Leu H . 19335 1 11 . 1 1 5 5 LEU C C 13 177.526 . . . . . . . 4 Leu C . 19335 1 12 . 1 1 5 5 LEU CA C 13 55.354 . . . . . . . 4 Leu CA . 19335 1 13 . 1 1 5 5 LEU CB C 13 42.548 . . . . . . . 4 Leu CB . 19335 1 14 . 1 1 5 5 LEU N N 15 122.084 . . . . . . . 4 Leu N . 19335 1 15 . 1 1 6 6 MET H H 1 8.283 . . . . . . . 5 Met H . 19335 1 16 . 1 1 6 6 MET C C 13 175.936 . . . . . . . 5 Met C . 19335 1 17 . 1 1 6 6 MET CA C 13 55.472 . . . . . . . 5 Met CA . 19335 1 18 . 1 1 6 6 MET CB C 13 33.056 . . . . . . . 5 Met CB . 19335 1 19 . 1 1 6 6 MET N N 15 120.656 . . . . . . . 5 Met N . 19335 1 20 . 1 1 7 7 ALA H H 1 8.201 . . . . . . . 6 Ala H . 19335 1 21 . 1 1 7 7 ALA C C 13 178.054 . . . . . . . 6 Ala C . 19335 1 22 . 1 1 7 7 ALA CA C 13 52.786 . . . . . . . 6 Ala CA . 19335 1 23 . 1 1 7 7 ALA CB C 13 19.364 . . . . . . . 6 Ala CB . 19335 1 24 . 1 1 7 7 ALA N N 15 124.912 . . . . . . . 6 Ala N . 19335 1 25 . 1 1 8 8 THR H H 1 7.959 . . . . . . . 7 Thr H . 19335 1 26 . 1 1 8 8 THR C C 13 174.772 . . . . . . . 7 Thr C . 19335 1 27 . 1 1 8 8 THR CA C 13 62.098 . . . . . . . 7 Thr CA . 19335 1 28 . 1 1 8 8 THR CB C 13 69.704 . . . . . . . 7 Thr CB . 19335 1 29 . 1 1 8 8 THR N N 15 111.822 . . . . . . . 7 Thr N . 19335 1 30 . 1 1 9 9 GLN H H 1 8.305 . . . . . . . 8 Gln H . 19335 1 31 . 1 1 9 9 GLN C C 13 175.626 . . . . . . . 8 Gln C . 19335 1 32 . 1 1 9 9 GLN CA C 13 55.959 . . . . . . . 8 Gln CA . 19335 1 33 . 1 1 9 9 GLN CB C 13 29.395 . . . . . . . 8 Gln CB . 19335 1 34 . 1 1 9 9 GLN N N 15 121.506 . . . . . . . 8 Gln N . 19335 1 35 . 1 1 10 10 SER H H 1 8.201 . . . . . . . 9 Ser H . 19335 1 36 . 1 1 10 10 SER C C 13 173.891 . . . . . . . 9 Ser C . 19335 1 37 . 1 1 10 10 SER CA C 13 58.685 . . . . . . . 9 Ser CA . 19335 1 38 . 1 1 10 10 SER CB C 13 64.018 . . . . . . . 9 Ser CB . 19335 1 39 . 1 1 10 10 SER N N 15 116.392 . . . . . . . 9 Ser N . 19335 1 40 . 1 1 11 11 CYS H H 1 8.185 . . . . . . . 10 Cys H . 19335 1 41 . 1 1 11 11 CYS C C 13 174.069 . . . . . . . 10 Cys C . 19335 1 42 . 1 1 11 11 CYS CA C 13 52.787 . . . . . . . 10 Cys CA . 19335 1 43 . 1 1 11 11 CYS CB C 13 39.403 . . . . . . . 10 Cys CB . 19335 1 44 . 1 1 11 11 CYS N N 15 118.669 . . . . . . . 10 Cys N . 19335 1 45 . 1 1 12 12 CYS H H 1 9.105 . . . . . . . 11 Cys H . 19335 1 46 . 1 1 12 12 CYS C C 13 174.436 . . . . . . . 11 Cys C . 19335 1 47 . 1 1 12 12 CYS CA C 13 56.276 . . . . . . . 11 Cys CA . 19335 1 48 . 1 1 12 12 CYS CB C 13 44.568 . . . . . . . 11 Cys CB . 19335 1 49 . 1 1 12 12 CYS N N 15 118.701 . . . . . . . 11 Cys N . 19335 1 50 . 1 1 13 13 PHE H H 1 9.025 . . . . . . . 12 Phe H . 19335 1 51 . 1 1 13 13 PHE C C 13 173.743 . . . . . . . 12 Phe C . 19335 1 52 . 1 1 13 13 PHE CA C 13 58.112 . . . . . . . 12 Phe CA . 19335 1 53 . 1 1 13 13 PHE CB C 13 40.267 . . . . . . . 12 Phe CB . 19335 1 54 . 1 1 13 13 PHE N N 15 121.049 . . . . . . . 12 Phe N . 19335 1 55 . 1 1 14 14 ALA H H 1 7.523 . . . . . . . 13 Ala H . 19335 1 56 . 1 1 14 14 ALA C C 13 175.259 . . . . . . . 13 Ala C . 19335 1 57 . 1 1 14 14 ALA CA C 13 51.116 . . . . . . . 13 Ala CA . 19335 1 58 . 1 1 14 14 ALA CB C 13 21.350 . . . . . . . 13 Ala CB . 19335 1 59 . 1 1 14 14 ALA N N 15 121.918 . . . . . . . 13 Ala N . 19335 1 60 . 1 1 15 15 TYR H H 1 8.400 . . . . . . . 14 Tyr H . 19335 1 61 . 1 1 15 15 TYR C C 13 177.099 . . . . . . . 14 Tyr C . 19335 1 62 . 1 1 15 15 TYR CA C 13 55.491 . . . . . . . 14 Tyr CA . 19335 1 63 . 1 1 15 15 TYR CB C 13 41.498 . . . . . . . 14 Tyr CB . 19335 1 64 . 1 1 15 15 TYR N N 15 117.687 . . . . . . . 14 Tyr N . 19335 1 65 . 1 1 16 16 ILE H H 1 8.863 . . . . . . . 15 Ile H . 19335 1 66 . 1 1 16 16 ILE C C 13 175.891 . . . . . . . 15 Ile C . 19335 1 67 . 1 1 16 16 ILE CA C 13 61.515 . . . . . . . 15 Ile CA . 19335 1 68 . 1 1 16 16 ILE CB C 13 38.964 . . . . . . . 15 Ile CB . 19335 1 69 . 1 1 16 16 ILE N N 15 121.304 . . . . . . . 15 Ile N . 19335 1 70 . 1 1 17 17 ALA H H 1 8.632 . . . . . . . 16 Ala H . 19335 1 71 . 1 1 17 17 ALA C C 13 177.719 . . . . . . . 16 Ala C . 19335 1 72 . 1 1 17 17 ALA CA C 13 53.805 . . . . . . . 16 Ala CA . 19335 1 73 . 1 1 17 17 ALA CB C 13 20.404 . . . . . . . 16 Ala CB . 19335 1 74 . 1 1 17 17 ALA N N 15 126.806 . . . . . . . 16 Ala N . 19335 1 75 . 1 1 18 18 ARG H H 1 7.562 . . . . . . . 17 Arg H . 19335 1 76 . 1 1 18 18 ARG CA C 13 52.727 . . . . . . . 17 Arg CA . 19335 1 77 . 1 1 18 18 ARG CB C 13 31.138 . . . . . . . 17 Arg CB . 19335 1 78 . 1 1 18 18 ARG N N 15 117.669 . . . . . . . 17 Arg N . 19335 1 79 . 1 1 19 19 PRO CA C 13 176.664 . . . . . . . 18 Pro CA . 19335 1 80 . 1 1 19 19 PRO N N 15 31.498 . . . . . . . 18 Pro N . 19335 1 81 . 1 1 20 20 LEU H H 1 5.583 . . . . . . . 19 Leu H . 19335 1 82 . 1 1 20 20 LEU CA C 13 52.678 . . . . . . . 19 Leu CA . 19335 1 83 . 1 1 20 20 LEU CB C 13 42.446 . . . . . . . 19 Leu CB . 19335 1 84 . 1 1 20 20 LEU N N 15 122.049 . . . . . . . 19 Leu N . 19335 1 85 . 1 1 21 21 PRO CA C 13 177.787 . . . . . . . 20 Pro CA . 19335 1 86 . 1 1 21 21 PRO N N 15 31.354 . . . . . . . 20 Pro N . 19335 1 87 . 1 1 22 22 ARG H H 1 8.516 . . . . . . . 21 Arg H . 19335 1 88 . 1 1 22 22 ARG C C 13 178.723 . . . . . . . 21 Arg C . 19335 1 89 . 1 1 22 22 ARG CA C 13 58.913 . . . . . . . 21 Arg CA . 19335 1 90 . 1 1 22 22 ARG CB C 13 29.439 . . . . . . . 21 Arg CB . 19335 1 91 . 1 1 22 22 ARG N N 15 127.166 . . . . . . . 21 Arg N . 19335 1 92 . 1 1 23 23 ALA H H 1 8.590 . . . . . . . 22 Ala H . 19335 1 93 . 1 1 23 23 ALA C C 13 178.549 . . . . . . . 22 Ala C . 19335 1 94 . 1 1 23 23 ALA CA C 13 53.755 . . . . . . . 22 Ala CA . 19335 1 95 . 1 1 23 23 ALA CB C 13 18.524 . . . . . . . 22 Ala CB . 19335 1 96 . 1 1 23 23 ALA N N 15 118.719 . . . . . . . 22 Ala N . 19335 1 97 . 1 1 24 24 HIS H H 1 7.963 . . . . . . . 23 His H . 19335 1 98 . 1 1 24 24 HIS C C 13 174.277 . . . . . . . 23 His C . 19335 1 99 . 1 1 24 24 HIS CA C 13 54.830 . . . . . . . 23 His CA . 19335 1 100 . 1 1 24 24 HIS CB C 13 29.388 . . . . . . . 23 His CB . 19335 1 101 . 1 1 24 24 HIS N N 15 112.813 . . . . . . . 23 His N . 19335 1 102 . 1 1 25 25 ILE H H 1 7.731 . . . . . . . 24 Ile H . 19335 1 103 . 1 1 25 25 ILE C C 13 174.656 . . . . . . . 24 Ile C . 19335 1 104 . 1 1 25 25 ILE CA C 13 62.114 . . . . . . . 24 Ile CA . 19335 1 105 . 1 1 25 25 ILE CB C 13 38.866 . . . . . . . 24 Ile CB . 19335 1 106 . 1 1 25 25 ILE N N 15 120.140 . . . . . . . 24 Ile N . 19335 1 107 . 1 1 26 26 LYS H H 1 9.413 . . . . . . . 25 Lys H . 19335 1 108 . 1 1 26 26 LYS C C 13 175.722 . . . . . . . 25 Lys C . 19335 1 109 . 1 1 26 26 LYS CA C 13 57.024 . . . . . . . 25 Lys CA . 19335 1 110 . 1 1 26 26 LYS CB C 13 35.566 . . . . . . . 25 Lys CB . 19335 1 111 . 1 1 26 26 LYS N N 15 125.477 . . . . . . . 25 Lys N . 19335 1 112 . 1 1 27 27 GLU H H 1 8.017 . . . . . . . 26 Glu H . 19335 1 113 . 1 1 27 27 GLU C C 13 172.930 . . . . . . . 26 Glu C . 19335 1 114 . 1 1 27 27 GLU CA C 13 55.007 . . . . . . . 26 Glu CA . 19335 1 115 . 1 1 27 27 GLU CB C 13 31.658 . . . . . . . 26 Glu CB . 19335 1 116 . 1 1 27 27 GLU N N 15 114.612 . . . . . . . 26 Glu N . 19335 1 117 . 1 1 28 28 TYR H H 1 8.309 . . . . . . . 27 Tyr H . 19335 1 118 . 1 1 28 28 TYR C C 13 172.828 . . . . . . . 27 Tyr C . 19335 1 119 . 1 1 28 28 TYR CA C 13 56.100 . . . . . . . 27 Tyr CA . 19335 1 120 . 1 1 28 28 TYR CB C 13 43.071 . . . . . . . 27 Tyr CB . 19335 1 121 . 1 1 28 28 TYR N N 15 117.402 . . . . . . . 27 Tyr N . 19335 1 122 . 1 1 29 29 PHE H H 1 8.526 . . . . . . . 28 Phe H . 19335 1 123 . 1 1 29 29 PHE C C 13 173.176 . . . . . . . 28 Phe C . 19335 1 124 . 1 1 29 29 PHE CA C 13 56.319 . . . . . . . 28 Phe CA . 19335 1 125 . 1 1 29 29 PHE CB C 13 40.695 . . . . . . . 28 Phe CB . 19335 1 126 . 1 1 29 29 PHE N N 15 115.093 . . . . . . . 28 Phe N . 19335 1 127 . 1 1 30 30 TYR H H 1 8.965 . . . . . . . 29 Tyr H . 19335 1 128 . 1 1 30 30 TYR C C 13 177.705 . . . . . . . 29 Tyr C . 19335 1 129 . 1 1 30 30 TYR CA C 13 57.984 . . . . . . . 29 Tyr CA . 19335 1 130 . 1 1 30 30 TYR CB C 13 39.876 . . . . . . . 29 Tyr CB . 19335 1 131 . 1 1 30 30 TYR N N 15 119.448 . . . . . . . 29 Tyr N . 19335 1 132 . 1 1 31 31 THR H H 1 8.138 . . . . . . . 30 Thr H . 19335 1 133 . 1 1 31 31 THR C C 13 174.880 . . . . . . . 30 Thr C . 19335 1 134 . 1 1 31 31 THR CA C 13 61.940 . . . . . . . 30 Thr CA . 19335 1 135 . 1 1 31 31 THR CB C 13 70.870 . . . . . . . 30 Thr CB . 19335 1 136 . 1 1 31 31 THR N N 15 110.531 . . . . . . . 30 Thr N . 19335 1 137 . 1 1 32 32 SER H H 1 8.806 . . . . . . . 31 Ser H . 19335 1 138 . 1 1 32 32 SER C C 13 176.851 . . . . . . . 31 Ser C . 19335 1 139 . 1 1 32 32 SER CA C 13 58.478 . . . . . . . 31 Ser CA . 19335 1 140 . 1 1 32 32 SER CB C 13 64.122 . . . . . . . 31 Ser CB . 19335 1 141 . 1 1 32 32 SER N N 15 115.097 . . . . . . . 31 Ser N . 19335 1 142 . 1 1 33 33 GLY H H 1 8.916 . . . . . . . 32 Gly H . 19335 1 143 . 1 1 33 33 GLY CA C 13 46.429 . . . . . . . 32 Gly CA . 19335 1 144 . 1 1 33 33 GLY N N 15 114.316 . . . . . . . 32 Gly N . 19335 1 145 . 1 1 34 34 LYS H H 1 8.179 . . . . . . . 33 Lys H . 19335 1 146 . 1 1 34 34 LYS C C 13 177.622 . . . . . . . 33 Lys C . 19335 1 147 . 1 1 34 34 LYS CA C 13 56.493 . . . . . . . 33 Lys CA . 19335 1 148 . 1 1 34 34 LYS CB C 13 32.091 . . . . . . . 33 Lys CB . 19335 1 149 . 1 1 34 34 LYS N N 15 118.364 . . . . . . . 33 Lys N . 19335 1 150 . 1 1 35 35 CYS H H 1 7.590 . . . . . . . 34 Cys H . 19335 1 151 . 1 1 35 35 CYS C C 13 175.392 . . . . . . . 34 Cys C . 19335 1 152 . 1 1 35 35 CYS CA C 13 54.239 . . . . . . . 34 Cys CA . 19335 1 153 . 1 1 35 35 CYS CB C 13 38.902 . . . . . . . 34 Cys CB . 19335 1 154 . 1 1 35 35 CYS N N 15 118.988 . . . . . . . 34 Cys N . 19335 1 155 . 1 1 36 36 SER H H 1 8.778 . . . . . . . 35 Ser H . 19335 1 156 . 1 1 36 36 SER C C 13 174.147 . . . . . . . 35 Ser C . 19335 1 157 . 1 1 36 36 SER CA C 13 61.185 . . . . . . . 35 Ser CA . 19335 1 158 . 1 1 36 36 SER CB C 13 63.211 . . . . . . . 35 Ser CB . 19335 1 159 . 1 1 36 36 SER N N 15 118.577 . . . . . . . 35 Ser N . 19335 1 160 . 1 1 37 37 ASN H H 1 8.209 . . . . . . . 36 Asn H . 19335 1 161 . 1 1 37 37 ASN CA C 13 50.213 . . . . . . . 36 Asn CA . 19335 1 162 . 1 1 37 37 ASN CB C 13 39.198 . . . . . . . 36 Asn CB . 19335 1 163 . 1 1 37 37 ASN N N 15 118.267 . . . . . . . 36 Asn N . 19335 1 164 . 1 1 38 38 PRO CA C 13 176.559 . . . . . . . 37 Pro CA . 19335 1 165 . 1 1 38 38 PRO N N 15 32.282 . . . . . . . 37 Pro N . 19335 1 166 . 1 1 39 39 ALA H H 1 8.158 . . . . . . . 38 Ala H . 19335 1 167 . 1 1 39 39 ALA C C 13 175.681 . . . . . . . 38 Ala C . 19335 1 168 . 1 1 39 39 ALA CA C 13 52.483 . . . . . . . 38 Ala CA . 19335 1 169 . 1 1 39 39 ALA CB C 13 24.534 . . . . . . . 38 Ala CB . 19335 1 170 . 1 1 39 39 ALA N N 15 122.268 . . . . . . . 38 Ala N . 19335 1 171 . 1 1 40 40 VAL H H 1 8.273 . . . . . . . 39 Val H . 19335 1 172 . 1 1 40 40 VAL C C 13 172.417 . . . . . . . 39 Val C . 19335 1 173 . 1 1 40 40 VAL CA C 13 60.348 . . . . . . . 39 Val CA . 19335 1 174 . 1 1 40 40 VAL CB C 13 34.467 . . . . . . . 39 Val CB . 19335 1 175 . 1 1 40 40 VAL N N 15 119.809 . . . . . . . 39 Val N . 19335 1 176 . 1 1 41 41 VAL H H 1 8.839 . . . . . . . 40 Val H . 19335 1 177 . 1 1 41 41 VAL C C 13 175.997 . . . . . . . 40 Val C . 19335 1 178 . 1 1 41 41 VAL CA C 13 60.246 . . . . . . . 40 Val CA . 19335 1 179 . 1 1 41 41 VAL CB C 13 32.170 . . . . . . . 40 Val CB . 19335 1 180 . 1 1 41 41 VAL N N 15 126.692 . . . . . . . 40 Val N . 19335 1 181 . 1 1 42 42 PHE H H 1 8.987 . . . . . . . 41 Phe H . 19335 1 182 . 1 1 42 42 PHE C C 13 174.774 . . . . . . . 41 Phe C . 19335 1 183 . 1 1 42 42 PHE CA C 13 56.595 . . . . . . . 41 Phe CA . 19335 1 184 . 1 1 42 42 PHE CB C 13 41.133 . . . . . . . 41 Phe CB . 19335 1 185 . 1 1 42 42 PHE N N 15 122.834 . . . . . . . 41 Phe N . 19335 1 186 . 1 1 43 43 VAL H H 1 8.826 . . . . . . . 42 Val H . 19335 1 187 . 1 1 43 43 VAL C C 13 177.682 . . . . . . . 42 Val C . 19335 1 188 . 1 1 43 43 VAL CA C 13 60.926 . . . . . . . 42 Val CA . 19335 1 189 . 1 1 43 43 VAL CB C 13 33.170 . . . . . . . 42 Val CB . 19335 1 190 . 1 1 43 43 VAL N N 15 122.649 . . . . . . . 42 Val N . 19335 1 191 . 1 1 44 44 THR H H 1 9.366 . . . . . . . 43 Thr H . 19335 1 192 . 1 1 44 44 THR C C 13 176.980 . . . . . . . 43 Thr C . 19335 1 193 . 1 1 44 44 THR CA C 13 60.888 . . . . . . . 43 Thr CA . 19335 1 194 . 1 1 44 44 THR CB C 13 71.586 . . . . . . . 43 Thr CB . 19335 1 195 . 1 1 44 44 THR N N 15 118.436 . . . . . . . 43 Thr N . 19335 1 196 . 1 1 45 45 ARG H H 1 8.480 . . . . . . . 44 Arg H . 19335 1 197 . 1 1 45 45 ARG C C 13 177.100 . . . . . . . 44 Arg C . 19335 1 198 . 1 1 45 45 ARG CA C 13 59.014 . . . . . . . 44 Arg CA . 19335 1 199 . 1 1 45 45 ARG CB C 13 29.619 . . . . . . . 44 Arg CB . 19335 1 200 . 1 1 45 45 ARG N N 15 118.539 . . . . . . . 44 Arg N . 19335 1 201 . 1 1 46 46 LYS H H 1 7.670 . . . . . . . 45 Lys H . 19335 1 202 . 1 1 46 46 LYS C C 13 175.182 . . . . . . . 45 Lys C . 19335 1 203 . 1 1 46 46 LYS CA C 13 55.814 . . . . . . . 45 Lys CA . 19335 1 204 . 1 1 46 46 LYS CB C 13 31.378 . . . . . . . 45 Lys CB . 19335 1 205 . 1 1 46 46 LYS N N 15 117.313 . . . . . . . 45 Lys N . 19335 1 206 . 1 1 47 47 ASN H H 1 8.359 . . . . . . . 46 Asn H . 19335 1 207 . 1 1 47 47 ASN C C 13 174.644 . . . . . . . 46 Asn C . 19335 1 208 . 1 1 47 47 ASN CA C 13 54.718 . . . . . . . 46 Asn CA . 19335 1 209 . 1 1 47 47 ASN CB C 13 36.757 . . . . . . . 46 Asn CB . 19335 1 210 . 1 1 47 47 ASN N N 15 114.842 . . . . . . . 46 Asn N . 19335 1 211 . 1 1 48 48 ARG H H 1 7.468 . . . . . . . 47 Arg H . 19335 1 212 . 1 1 48 48 ARG C C 13 175.393 . . . . . . . 47 Arg C . 19335 1 213 . 1 1 48 48 ARG CA C 13 55.515 . . . . . . . 47 Arg CA . 19335 1 214 . 1 1 48 48 ARG CB C 13 31.161 . . . . . . . 47 Arg CB . 19335 1 215 . 1 1 48 48 ARG N N 15 117.692 . . . . . . . 47 Arg N . 19335 1 216 . 1 1 49 49 GLN H H 1 8.599 . . . . . . . 48 Gln H . 19335 1 217 . 1 1 49 49 GLN C C 13 175.929 . . . . . . . 48 Gln C . 19335 1 218 . 1 1 49 49 GLN CA C 13 55.391 . . . . . . . 48 Gln CA . 19335 1 219 . 1 1 49 49 GLN CB C 13 29.926 . . . . . . . 48 Gln CB . 19335 1 220 . 1 1 49 49 GLN N N 15 121.627 . . . . . . . 48 Gln N . 19335 1 221 . 1 1 50 50 VAL H H 1 9.232 . . . . . . . 49 Val H . 19335 1 222 . 1 1 50 50 VAL C C 13 174.597 . . . . . . . 49 Val C . 19335 1 223 . 1 1 50 50 VAL CA C 13 60.830 . . . . . . . 49 Val CA . 19335 1 224 . 1 1 50 50 VAL CB C 13 35.097 . . . . . . . 49 Val CB . 19335 1 225 . 1 1 50 50 VAL N N 15 122.034 . . . . . . . 49 Val N . 19335 1 226 . 1 1 51 51 CYS H H 1 8.819 . . . . . . . 50 Cys H . 19335 1 227 . 1 1 51 51 CYS C C 13 173.768 . . . . . . . 50 Cys C . 19335 1 228 . 1 1 51 51 CYS CA C 13 57.557 . . . . . . . 50 Cys CA . 19335 1 229 . 1 1 51 51 CYS CB C 13 48.061 . . . . . . . 50 Cys CB . 19335 1 230 . 1 1 51 51 CYS N N 15 124.007 . . . . . . . 50 Cys N . 19335 1 231 . 1 1 52 52 ALA H H 1 9.736 . . . . . . . 51 Ala H . 19335 1 232 . 1 1 52 52 ALA C C 13 174.443 . . . . . . . 51 Ala C . 19335 1 233 . 1 1 52 52 ALA CA C 13 50.838 . . . . . . . 51 Ala CA . 19335 1 234 . 1 1 52 52 ALA CB C 13 24.109 . . . . . . . 51 Ala CB . 19335 1 235 . 1 1 52 52 ALA N N 15 124.758 . . . . . . . 51 Ala N . 19335 1 236 . 1 1 53 53 ASN H H 1 8.357 . . . . . . . 52 Asn H . 19335 1 237 . 1 1 53 53 ASN CA C 13 50.171 . . . . . . . 52 Asn CA . 19335 1 238 . 1 1 53 53 ASN CB C 13 38.878 . . . . . . . 52 Asn CB . 19335 1 239 . 1 1 53 53 ASN N N 15 120.353 . . . . . . . 52 Asn N . 19335 1 240 . 1 1 54 54 PRO CA C 13 175.567 . . . . . . . 53 Pro CA . 19335 1 241 . 1 1 54 54 PRO N N 15 32.007 . . . . . . . 53 Pro N . 19335 1 242 . 1 1 55 55 GLU H H 1 7.739 . . . . . . . 54 Glu H . 19335 1 243 . 1 1 55 55 GLU C C 13 177.770 . . . . . . . 54 Glu C . 19335 1 244 . 1 1 55 55 GLU CA C 13 56.234 . . . . . . . 54 Glu CA . 19335 1 245 . 1 1 55 55 GLU CB C 13 28.877 . . . . . . . 54 Glu CB . 19335 1 246 . 1 1 55 55 GLU N N 15 114.469 . . . . . . . 54 Glu N . 19335 1 247 . 1 1 56 56 LYS H H 1 7.377 . . . . . . . 55 Lys H . 19335 1 248 . 1 1 56 56 LYS C C 13 177.583 . . . . . . . 55 Lys C . 19335 1 249 . 1 1 56 56 LYS CA C 13 54.313 . . . . . . . 55 Lys CA . 19335 1 250 . 1 1 56 56 LYS CB C 13 32.292 . . . . . . . 55 Lys CB . 19335 1 251 . 1 1 56 56 LYS N N 15 118.383 . . . . . . . 55 Lys N . 19335 1 252 . 1 1 57 57 LYS H H 1 8.819 . . . . . . . 56 Lys H . 19335 1 253 . 1 1 57 57 LYS C C 13 178.967 . . . . . . . 56 Lys C . 19335 1 254 . 1 1 57 57 LYS CA C 13 60.538 . . . . . . . 56 Lys CA . 19335 1 255 . 1 1 57 57 LYS CB C 13 32.186 . . . . . . . 56 Lys CB . 19335 1 256 . 1 1 57 57 LYS N N 15 125.287 . . . . . . . 56 Lys N . 19335 1 257 . 1 1 58 58 TRP H H 1 8.157 . . . . . . . 57 Trp H . 19335 1 258 . 1 1 58 58 TRP C C 13 176.904 . . . . . . . 57 Trp C . 19335 1 259 . 1 1 58 58 TRP CA C 13 59.146 . . . . . . . 57 Trp CA . 19335 1 260 . 1 1 58 58 TRP CB C 13 26.681 . . . . . . . 57 Trp CB . 19335 1 261 . 1 1 58 58 TRP N N 15 115.285 . . . . . . . 57 Trp N . 19335 1 262 . 1 1 59 59 VAL H H 1 5.842 . . . . . . . 58 Val H . 19335 1 263 . 1 1 59 59 VAL C C 13 177.535 . . . . . . . 58 Val C . 19335 1 264 . 1 1 59 59 VAL CA C 13 66.025 . . . . . . . 58 Val CA . 19335 1 265 . 1 1 59 59 VAL CB C 13 30.862 . . . . . . . 58 Val CB . 19335 1 266 . 1 1 59 59 VAL N N 15 122.558 . . . . . . . 58 Val N . 19335 1 267 . 1 1 60 60 ARG H H 1 7.334 . . . . . . . 59 Arg H . 19335 1 268 . 1 1 60 60 ARG C C 13 179.097 . . . . . . . 59 Arg C . 19335 1 269 . 1 1 60 60 ARG CA C 13 59.403 . . . . . . . 59 Arg CA . 19335 1 270 . 1 1 60 60 ARG CB C 13 29.591 . . . . . . . 59 Arg CB . 19335 1 271 . 1 1 60 60 ARG N N 15 118.571 . . . . . . . 59 Arg N . 19335 1 272 . 1 1 61 61 GLU H H 1 8.332 . . . . . . . 60 Glu H . 19335 1 273 . 1 1 61 61 GLU C C 13 179.619 . . . . . . . 60 Glu C . 19335 1 274 . 1 1 61 61 GLU CA C 13 59.154 . . . . . . . 60 Glu CA . 19335 1 275 . 1 1 61 61 GLU CB C 13 28.527 . . . . . . . 60 Glu CB . 19335 1 276 . 1 1 61 61 GLU N N 15 118.059 . . . . . . . 60 Glu N . 19335 1 277 . 1 1 62 62 TYR H H 1 8.545 . . . . . . . 61 Tyr H . 19335 1 278 . 1 1 62 62 TYR C C 13 178.992 . . . . . . . 61 Tyr C . 19335 1 279 . 1 1 62 62 TYR CA C 13 60.222 . . . . . . . 61 Tyr CA . 19335 1 280 . 1 1 62 62 TYR CB C 13 37.418 . . . . . . . 61 Tyr CB . 19335 1 281 . 1 1 62 62 TYR N N 15 122.156 . . . . . . . 61 Tyr N . 19335 1 282 . 1 1 63 63 ILE H H 1 8.461 . . . . . . . 62 Ile H . 19335 1 283 . 1 1 63 63 ILE C C 13 178.466 . . . . . . . 62 Ile C . 19335 1 284 . 1 1 63 63 ILE CA C 13 65.908 . . . . . . . 62 Ile CA . 19335 1 285 . 1 1 63 63 ILE CB C 13 37.668 . . . . . . . 62 Ile CB . 19335 1 286 . 1 1 63 63 ILE N N 15 119.422 . . . . . . . 62 Ile N . 19335 1 287 . 1 1 64 64 ASN H H 1 7.999 . . . . . . . 63 Asn H . 19335 1 288 . 1 1 64 64 ASN C C 13 177.096 . . . . . . . 63 Asn C . 19335 1 289 . 1 1 64 64 ASN CA C 13 55.954 . . . . . . . 63 Asn CA . 19335 1 290 . 1 1 64 64 ASN CB C 13 38.345 . . . . . . . 63 Asn CB . 19335 1 291 . 1 1 64 64 ASN N N 15 118.318 . . . . . . . 63 Asn N . 19335 1 292 . 1 1 65 65 SER H H 1 7.952 . . . . . . . 64 Ser H . 19335 1 293 . 1 1 65 65 SER C C 13 175.612 . . . . . . . 64 Ser C . 19335 1 294 . 1 1 65 65 SER CA C 13 60.207 . . . . . . . 64 Ser CA . 19335 1 295 . 1 1 65 65 SER CB C 13 63.816 . . . . . . . 64 Ser CB . 19335 1 296 . 1 1 65 65 SER N N 15 114.222 . . . . . . . 64 Ser N . 19335 1 297 . 1 1 66 66 LEU H H 1 7.926 . . . . . . . 65 Leu H . 19335 1 298 . 1 1 66 66 LEU C C 13 177.672 . . . . . . . 65 Leu C . 19335 1 299 . 1 1 66 66 LEU CA C 13 56.039 . . . . . . . 65 Leu CA . 19335 1 300 . 1 1 66 66 LEU CB C 13 43.378 . . . . . . . 65 Leu CB . 19335 1 301 . 1 1 66 66 LEU N N 15 122.765 . . . . . . . 65 Leu N . 19335 1 302 . 1 1 67 67 SER H H 1 8.060 . . . . . . . 66 Ser H . 19335 1 303 . 1 1 67 67 SER C C 13 174.225 . . . . . . . 66 Ser C . 19335 1 304 . 1 1 67 67 SER CA C 13 58.999 . . . . . . . 66 Ser CA . 19335 1 305 . 1 1 67 67 SER CB C 13 64.030 . . . . . . . 66 Ser CB . 19335 1 306 . 1 1 67 67 SER N N 15 114.620 . . . . . . . 66 Ser N . 19335 1 307 . 1 1 68 68 MET H H 1 8.075 . . . . . . . 67 Met H . 19335 1 308 . 1 1 68 68 MET C C 13 175.693 . . . . . . . 67 Met C . 19335 1 309 . 1 1 68 68 MET CA C 13 55.657 . . . . . . . 67 Met CA . 19335 1 310 . 1 1 68 68 MET CB C 13 33.323 . . . . . . . 67 Met CB . 19335 1 311 . 1 1 68 68 MET N N 15 121.718 . . . . . . . 67 Met N . 19335 1 312 . 1 1 69 69 SER H H 1 8.061 . . . . . . . 68 Ser H . 19335 1 313 . 1 1 69 69 SER CA C 13 59.398 . . . . . . . 68 Ser CA . 19335 1 314 . 1 1 69 69 SER CB C 13 64.743 . . . . . . . 68 Ser CB . 19335 1 315 . 1 1 69 69 SER N N 15 120.874 . . . . . . . 68 Ser N . 19335 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 19335 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 6 '{1H}-15N NOE' 1 $sample_1 . 19335 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 1 1 GLN H H 1 . 1 1 1 1 GLN N N 15 -2.5857 0.1206 . . . 0 Gln H . 0 Gln N 19335 1 2 . 1 1 2 2 GLY H H 1 . 1 1 2 2 GLY N N 15 -1.7148 0.0620 . . . 1 Gly H . 1 Gly N 19335 1 3 . 1 1 5 5 LEU H H 1 . 1 1 5 5 LEU N N 15 -0.2290 0.0054 . . . 4 Leu H . 4 Leu N 19335 1 4 . 1 1 6 6 MET H H 1 . 1 1 6 6 MET N N 15 -0.0859 0.0147 . . . 5 Met H . 5 Met N 19335 1 5 . 1 1 7 7 ALA H H 1 . 1 1 7 7 ALA N N 15 0.1836 0.0038 . . . 6 Ala H . 6 Ala N 19335 1 6 . 1 1 8 8 THR H H 1 . 1 1 8 8 THR N N 15 0.2766 0.1079 . . . 7 Thr H . 7 Thr N 19335 1 7 . 1 1 9 9 GLN H H 1 . 1 1 9 9 GLN N N 15 0.3496 0.0337 . . . 8 Gln H . 8 Gln N 19335 1 8 . 1 1 10 10 SER H H 1 . 1 1 10 10 SER N N 15 0.4415 0.0136 . . . 9 Ser H . 9 Ser N 19335 1 9 . 1 1 11 11 CYS H H 1 . 1 1 11 11 CYS N N 15 0.5421 0.0853 . . . 10 Cys H . 10 Cys N 19335 1 10 . 1 1 12 12 CYS H H 1 . 1 1 12 12 CYS N N 15 0.7692 0.0076 . . . 11 Cys H . 11 Cys N 19335 1 11 . 1 1 13 13 PHE H H 1 . 1 1 13 13 PHE N N 15 0.6987 0.0174 . . . 12 Phe H . 12 Phe N 19335 1 12 . 1 1 14 14 ALA H H 1 . 1 1 14 14 ALA N N 15 0.6879 0.0017 . . . 13 Ala H . 13 Ala N 19335 1 13 . 1 1 15 15 TYR H H 1 . 1 1 15 15 TYR N N 15 0.6805 0.0090 . . . 14 Tyr H . 14 Tyr N 19335 1 14 . 1 1 16 16 ILE H H 1 . 1 1 16 16 ILE N N 15 0.7264 0.0175 . . . 15 Ile H . 15 Ile N 19335 1 15 . 1 1 17 17 ALA H H 1 . 1 1 17 17 ALA N N 15 0.6402 0.0514 . . . 16 Ala H . 16 Ala N 19335 1 16 . 1 1 18 18 ARG H H 1 . 1 1 18 18 ARG N N 15 0.6165 0.0033 . . . 17 Arg H . 17 Arg N 19335 1 17 . 1 1 20 20 LEU H H 1 . 1 1 20 20 LEU N N 15 0.7582 0.0023 . . . 19 Leu H . 19 Leu N 19335 1 18 . 1 1 22 22 ARG H H 1 . 1 1 22 22 ARG N N 15 0.7128 0.0043 . . . 21 Arg H . 21 Arg N 19335 1 19 . 1 1 23 23 ALA H H 1 . 1 1 23 23 ALA N N 15 0.7173 0.0080 . . . 22 Ala H . 22 Ala N 19335 1 20 . 1 1 24 24 HIS H H 1 . 1 1 24 24 HIS N N 15 0.7182 0.0113 . . . 23 His H . 23 His N 19335 1 21 . 1 1 25 25 ILE H H 1 . 1 1 25 25 ILE N N 15 0.7455 0.0011 . . . 24 Ile H . 24 Ile N 19335 1 22 . 1 1 26 26 LYS H H 1 . 1 1 26 26 LYS N N 15 0.6827 0.0298 . . . 25 Lys H . 25 Lys N 19335 1 23 . 1 1 27 27 GLU H H 1 . 1 1 27 27 GLU N N 15 0.7204 0.0406 . . . 26 Glu H . 26 Glu N 19335 1 24 . 1 1 28 28 TYR H H 1 . 1 1 28 28 TYR N N 15 0.7342 0.0032 . . . 27 Tyr H . 27 Tyr N 19335 1 25 . 1 1 29 29 PHE H H 1 . 1 1 29 29 PHE N N 15 0.7163 0.0289 . . . 28 Phe H . 28 Phe N 19335 1 26 . 1 1 30 30 TYR H H 1 . 1 1 30 30 TYR N N 15 0.7309 0.0136 . . . 29 Tyr H . 29 Tyr N 19335 1 27 . 1 1 31 31 THR H H 1 . 1 1 31 31 THR N N 15 0.7413 0.0039 . . . 30 Thr H . 30 Thr N 19335 1 28 . 1 1 32 32 SER H H 1 . 1 1 32 32 SER N N 15 0.6797 0.0359 . . . 31 Ser H . 31 Ser N 19335 1 29 . 1 1 33 33 GLY H H 1 . 1 1 33 33 GLY N N 15 0.6485 0.0083 . . . 32 Gly H . 32 Gly N 19335 1 30 . 1 1 34 34 LYS H H 1 . 1 1 34 34 LYS N N 15 0.6434 0.0175 . . . 33 Lys H . 33 Lys N 19335 1 31 . 1 1 35 35 CYS H H 1 . 1 1 35 35 CYS N N 15 0.6930 0.0096 . . . 34 Cys H . 34 Cys N 19335 1 32 . 1 1 36 36 SER H H 1 . 1 1 36 36 SER N N 15 0.7115 0.0306 . . . 35 Ser H . 35 Ser N 19335 1 33 . 1 1 37 37 ASN H H 1 . 1 1 37 37 ASN N N 15 0.6830 0.0070 . . . 36 Asn H . 36 Asn N 19335 1 34 . 1 1 39 39 ALA H H 1 . 1 1 39 39 ALA N N 15 0.6066 0.0471 . . . 38 Ala H . 38 Ala N 19335 1 35 . 1 1 40 40 VAL H H 1 . 1 1 40 40 VAL N N 15 0.7039 0.0046 . . . 39 Val H . 39 Val N 19335 1 36 . 1 1 41 41 VAL H H 1 . 1 1 41 41 VAL N N 15 0.7332 0.0188 . . . 40 Val H . 40 Val N 19335 1 37 . 1 1 42 42 PHE H H 1 . 1 1 42 42 PHE N N 15 0.7344 0.0368 . . . 41 Phe H . 41 Phe N 19335 1 38 . 1 1 43 43 VAL H H 1 . 1 1 43 43 VAL N N 15 0.7827 0.0238 . . . 42 Val H . 42 Val N 19335 1 39 . 1 1 44 44 THR H H 1 . 1 1 44 44 THR N N 15 0.7345 0.0387 . . . 43 Thr H . 43 Thr N 19335 1 40 . 1 1 45 45 ARG H H 1 . 1 1 45 45 ARG N N 15 0.7415 0.0364 . . . 44 Arg H . 44 Arg N 19335 1 41 . 1 1 46 46 LYS H H 1 . 1 1 46 46 LYS N N 15 0.7285 0.0290 . . . 45 Lys H . 45 Lys N 19335 1 42 . 1 1 47 47 ASN H H 1 . 1 1 47 47 ASN N N 15 0.7495 0.0044 . . . 46 Asn H . 46 Asn N 19335 1 43 . 1 1 48 48 ARG H H 1 . 1 1 48 48 ARG N N 15 0.7403 0.0424 . . . 47 Arg H . 47 Arg N 19335 1 44 . 1 1 49 49 GLN H H 1 . 1 1 49 49 GLN N N 15 0.7134 0.0011 . . . 48 Gln H . 48 Gln N 19335 1 45 . 1 1 50 50 VAL H H 1 . 1 1 50 50 VAL N N 15 0.7101 0.0021 . . . 49 Val H . 49 Val N 19335 1 46 . 1 1 51 51 CYS H H 1 . 1 1 51 51 CYS N N 15 0.7327 0.0323 . . . 50 Cys H . 50 Cys N 19335 1 47 . 1 1 52 52 ALA H H 1 . 1 1 52 52 ALA N N 15 0.7443 0.0426 . . . 51 Ala H . 51 Ala N 19335 1 48 . 1 1 53 53 ASN H H 1 . 1 1 53 53 ASN N N 15 0.7572 0.0062 . . . 52 Asn H . 52 Asn N 19335 1 49 . 1 1 55 55 GLU H H 1 . 1 1 55 55 GLU N N 15 0.7395 0.0023 . . . 54 Glu H . 54 Glu N 19335 1 50 . 1 1 56 56 LYS H H 1 . 1 1 56 56 LYS N N 15 0.7224 0.0208 . . . 55 Lys H . 55 Lys N 19335 1 51 . 1 1 57 57 LYS H H 1 . 1 1 57 57 LYS N N 15 0.6958 0.0082 . . . 56 Lys H . 56 Lys N 19335 1 52 . 1 1 58 58 TRP H H 1 . 1 1 58 58 TRP N N 15 0.7476 0.0028 . . . 57 Trp H . 57 Trp N 19335 1 53 . 1 1 59 59 VAL H H 1 . 1 1 59 59 VAL N N 15 0.7024 0.0245 . . . 58 Val H . 58 Val N 19335 1 54 . 1 1 60 60 ARG H H 1 . 1 1 60 60 ARG N N 15 0.7256 0.0143 . . . 59 Arg H . 59 Arg N 19335 1 55 . 1 1 61 61 GLU H H 1 . 1 1 61 61 GLU N N 15 0.7150 0.0087 . . . 60 Glu H . 60 Glu N 19335 1 56 . 1 1 62 62 TYR H H 1 . 1 1 62 62 TYR N N 15 0.7473 0.0113 . . . 61 Tyr H . 61 Tyr N 19335 1 57 . 1 1 63 63 ILE H H 1 . 1 1 63 63 ILE N N 15 0.7441 0.0241 . . . 62 Ile H . 62 Ile N 19335 1 58 . 1 1 64 64 ASN H H 1 . 1 1 64 64 ASN N N 15 0.7276 0.0039 . . . 63 Asn H . 63 Asn N 19335 1 59 . 1 1 65 65 SER H H 1 . 1 1 65 65 SER N N 15 0.7051 0.0282 . . . 64 Ser H . 64 Ser N 19335 1 60 . 1 1 66 66 LEU H H 1 . 1 1 66 66 LEU N N 15 0.6566 0.0048 . . . 65 Leu H . 65 Leu N 19335 1 61 . 1 1 67 67 SER H H 1 . 1 1 67 67 SER N N 15 0.5102 0.0348 . . . 66 Ser H . 66 Ser N 19335 1 62 . 1 1 68 68 MET H H 1 . 1 1 68 68 MET N N 15 0.1705 0.0378 . . . 67 Met H . 67 Met N 19335 1 63 . 1 1 69 69 SER H H 1 . 1 1 69 69 SER N N 15 -0.6343 0.0138 . . . 68 Ser H . 68 Ser N 19335 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 19335 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 4 '15N T1' 1 $sample_1 . 19335 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 1 1 GLN N N 15 1.8213 0.1021 . . 0 Gln N 19335 1 2 . 1 1 2 2 GLY N N 15 1.6537 0.0633 . . 1 Gly N 19335 1 3 . 1 1 5 5 LEU N N 15 0.7244 0.0022 . . 4 Leu N 19335 1 4 . 1 1 6 6 MET N N 15 0.6482 0.0105 . . 5 Met N 19335 1 5 . 1 1 7 7 ALA N N 15 0.6254 0.0172 . . 6 Ala N 19335 1 6 . 1 1 8 8 THR N N 15 0.5980 0.0002 . . 7 Thr N 19335 1 7 . 1 1 9 9 GLN N N 15 0.5506 0.0070 . . 8 Gln N 19335 1 8 . 1 1 10 10 SER N N 15 0.5630 0.0038 . . 9 Ser N 19335 1 9 . 1 1 11 11 CYS N N 15 0.5159 0.0138 . . 10 Cys N 19335 1 10 . 1 1 12 12 CYS N N 15 0.4493 0.0062 . . 11 Cys N 19335 1 11 . 1 1 13 13 PHE N N 15 0.4688 0.0119 . . 12 Phe N 19335 1 12 . 1 1 14 14 ALA N N 15 0.5045 0.0078 . . 13 Ala N 19335 1 13 . 1 1 15 15 TYR N N 15 0.4788 0.0009 . . 14 Tyr N 19335 1 14 . 1 1 16 16 ILE N N 15 0.4306 0.0008 . . 15 Ile N 19335 1 15 . 1 1 17 17 ALA N N 15 0.4677 0.0057 . . 16 Ala N 19335 1 16 . 1 1 18 18 ARG N N 15 0.5406 0.0053 . . 17 Arg N 19335 1 17 . 1 1 20 20 LEU N N 15 0.4817 0.0002 . . 19 Leu N 19335 1 18 . 1 1 22 22 ARG N N 15 0.4336 0.0031 . . 21 Arg N 19335 1 19 . 1 1 23 23 ALA N N 15 0.4331 0.0013 . . 22 Ala N 19335 1 20 . 1 1 24 24 HIS N N 15 0.4440 0.0040 . . 23 His N 19335 1 21 . 1 1 25 25 ILE N N 15 0.4398 0.0015 . . 24 Ile N 19335 1 22 . 1 1 26 26 LYS N N 15 0.4223 0.0017 . . 25 Lys N 19335 1 23 . 1 1 27 27 GLU N N 15 0.4520 0.0120 . . 26 Glu N 19335 1 24 . 1 1 28 28 TYR N N 15 0.4151 0.0000 . . 27 Tyr N 19335 1 25 . 1 1 29 29 PHE N N 15 0.4080 0.0008 . . 28 Phe N 19335 1 26 . 1 1 30 30 TYR N N 15 0.4438 0.0039 . . 29 Tyr N 19335 1 27 . 1 1 31 31 THR N N 15 0.4285 0.0003 . . 30 Thr N 19335 1 28 . 1 1 32 32 SER N N 15 0.4555 0.0046 . . 31 Ser N 19335 1 29 . 1 1 33 33 GLY N N 15 0.4568 0.0088 . . 32 Gly N 19335 1 30 . 1 1 34 34 LYS N N 15 0.4602 0.0040 . . 33 Lys N 19335 1 31 . 1 1 35 35 CYS N N 15 0.4723 0.0013 . . 34 Cys N 19335 1 32 . 1 1 36 36 SER N N 15 0.4808 0.0038 . . 35 Ser N 19335 1 33 . 1 1 37 37 ASN N N 15 0.4589 0.0065 . . 36 Asn N 19335 1 34 . 1 1 39 39 ALA N N 15 0.4865 0.0028 . . 38 Ala N 19335 1 35 . 1 1 40 40 VAL N N 15 0.4240 0.0036 . . 39 Val N 19335 1 36 . 1 1 41 41 VAL N N 15 0.4227 0.0026 . . 40 Val N 19335 1 37 . 1 1 42 42 PHE N N 15 0.4218 0.0035 . . 41 Phe N 19335 1 38 . 1 1 43 43 VAL N N 15 0.4245 0.0013 . . 42 Val N 19335 1 39 . 1 1 44 44 THR N N 15 0.4230 0.0006 . . 43 Thr N 19335 1 40 . 1 1 45 45 ARG N N 15 0.4423 0.0072 . . 44 Arg N 19335 1 41 . 1 1 46 46 LYS N N 15 0.4606 0.0051 . . 45 Lys N 19335 1 42 . 1 1 47 47 ASN N N 15 0.4359 0.0028 . . 46 Asn N 19335 1 43 . 1 1 48 48 ARG N N 15 0.4475 0.0003 . . 47 Arg N 19335 1 44 . 1 1 49 49 GLN N N 15 0.4644 0.0012 . . 48 Gln N 19335 1 45 . 1 1 50 50 VAL N N 15 0.4429 0.0037 . . 49 Val N 19335 1 46 . 1 1 51 51 CYS N N 15 0.4409 0.0050 . . 50 Cys N 19335 1 47 . 1 1 52 52 ALA N N 15 0.4464 0.0325 . . 51 Ala N 19335 1 48 . 1 1 53 53 ASN N N 15 0.4343 0.0058 . . 52 Asn N 19335 1 49 . 1 1 55 55 GLU N N 15 0.4342 0.0064 . . 54 Glu N 19335 1 50 . 1 1 56 56 LYS N N 15 0.4423 0.0022 . . 55 Lys N 19335 1 51 . 1 1 57 57 LYS N N 15 0.4325 0.0038 . . 56 Lys N 19335 1 52 . 1 1 58 58 TRP N N 15 0.4223 0.0004 . . 57 Trp N 19335 1 53 . 1 1 59 59 VAL N N 15 0.4150 0.0063 . . 58 Val N 19335 1 54 . 1 1 60 60 ARG N N 15 0.4103 0.0057 . . 59 Arg N 19335 1 55 . 1 1 61 61 GLU N N 15 0.4103 0.0000 . . 60 Glu N 19335 1 56 . 1 1 62 62 TYR N N 15 0.4251 0.0165 . . 61 Tyr N 19335 1 57 . 1 1 63 63 ILE N N 15 0.4146 0.0008 . . 62 Ile N 19335 1 58 . 1 1 64 64 ASN N N 15 0.4131 0.0065 . . 63 Asn N 19335 1 59 . 1 1 65 65 SER N N 15 0.4523 0.0069 . . 64 Ser N 19335 1 60 . 1 1 66 66 LEU N N 15 0.4489 0.0016 . . 65 Leu N 19335 1 61 . 1 1 67 67 SER N N 15 0.5196 0.0103 . . 66 Ser N 19335 1 62 . 1 1 68 68 MET N N 15 0.6331 0.0109 . . 67 Met N 19335 1 63 . 1 1 69 69 SER N N 15 0.9732 0.0163 . . 68 Ser N 19335 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 19335 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'ethylene glycol' _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 5 '15N T2' 1 $sample_1 . 19335 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 1 1 GLN N N 15 0.9464 0.0594 . . . . 0 Gln N 19335 1 2 . 1 1 2 2 GLY N N 15 0.7869 0.0351 . . . . 1 Gly N 19335 1 3 . 1 1 5 5 LEU N N 15 0.4033 0.0139 . . . . 4 Leu N 19335 1 4 . 1 1 6 6 MET N N 15 0.1361 0.0007 . . . . 5 Met N 19335 1 5 . 1 1 7 7 ALA N N 15 0.1824 0.0174 . . . . 6 Ala N 19335 1 6 . 1 1 8 8 THR N N 15 0.1107 0.0091 . . . . 7 Thr N 19335 1 7 . 1 1 9 9 GLN N N 15 0.0998 0.0085 . . . . 8 Gln N 19335 1 8 . 1 1 10 10 SER N N 15 0.1133 0.0018 . . . . 9 Ser N 19335 1 9 . 1 1 11 11 CYS N N 15 0.1574 0.0129 . . . . 10 Cys N 19335 1 10 . 1 1 12 12 CYS N N 15 0.1556 0.0101 . . . . 11 Cys N 19335 1 11 . 1 1 13 13 PHE N N 15 0.1874 0.0063 . . . . 12 Phe N 19335 1 12 . 1 1 14 14 ALA N N 15 0.2120 0.0078 . . . . 13 Ala N 19335 1 13 . 1 1 15 15 TYR N N 15 0.0625 0.0016 . . . . 14 Tyr N 19335 1 14 . 1 1 16 16 ILE N N 15 0.1760 0.0059 . . . . 15 Ile N 19335 1 15 . 1 1 17 17 ALA N N 15 0.1772 0.0024 . . . . 16 Ala N 19335 1 16 . 1 1 18 18 ARG N N 15 0.1767 0.0030 . . . . 17 Arg N 19335 1 17 . 1 1 20 20 LEU N N 15 0.2232 0.0103 . . . . 19 Leu N 19335 1 18 . 1 1 22 22 ARG N N 15 0.1289 0.0059 . . . . 21 Arg N 19335 1 19 . 1 1 23 23 ALA N N 15 0.1563 0.0103 . . . . 22 Ala N 19335 1 20 . 1 1 24 24 HIS N N 15 0.1736 0.0068 . . . . 23 His N 19335 1 21 . 1 1 25 25 ILE N N 15 0.1722 0.0044 . . . . 24 Ile N 19335 1 22 . 1 1 26 26 LYS N N 15 0.1849 0.0031 . . . . 25 Lys N 19335 1 23 . 1 1 27 27 GLU N N 15 0.1448 0.0045 . . . . 26 Glu N 19335 1 24 . 1 1 28 28 TYR N N 15 0.1413 0.0014 . . . . 27 Tyr N 19335 1 25 . 1 1 29 29 PHE N N 15 0.1410 0.0039 . . . . 28 Phe N 19335 1 26 . 1 1 30 30 TYR N N 15 0.1766 0.0099 . . . . 29 Tyr N 19335 1 27 . 1 1 31 31 THR N N 15 0.1727 0.0031 . . . . 30 Thr N 19335 1 28 . 1 1 32 32 SER N N 15 0.1595 0.0057 . . . . 31 Ser N 19335 1 29 . 1 1 33 33 GLY N N 15 0.0763 0.0024 . . . . 32 Gly N 19335 1 30 . 1 1 34 34 LYS N N 15 0.1458 0.0061 . . . . 33 Lys N 19335 1 31 . 1 1 35 35 CYS N N 15 0.1237 0.0027 . . . . 34 Cys N 19335 1 32 . 1 1 36 36 SER N N 15 0.1596 0.0101 . . . . 35 Ser N 19335 1 33 . 1 1 37 37 ASN N N 15 0.1626 0.0094 . . . . 36 Asn N 19335 1 34 . 1 1 39 39 ALA N N 15 0.2116 0.0030 . . . . 38 Ala N 19335 1 35 . 1 1 40 40 VAL N N 15 0.1757 0.0064 . . . . 39 Val N 19335 1 36 . 1 1 41 41 VAL N N 15 0.1749 0.0027 . . . . 40 Val N 19335 1 37 . 1 1 42 42 PHE N N 15 0.1835 0.0016 . . . . 41 Phe N 19335 1 38 . 1 1 43 43 VAL N N 15 0.1714 0.0036 . . . . 42 Val N 19335 1 39 . 1 1 44 44 THR N N 15 0.1428 0.0077 . . . . 43 Thr N 19335 1 40 . 1 1 45 45 ARG N N 15 0.1546 0.0091 . . . . 44 Arg N 19335 1 41 . 1 1 46 46 LYS N N 15 0.1575 0.0011 . . . . 45 Lys N 19335 1 42 . 1 1 47 47 ASN N N 15 0.1437 0.0046 . . . . 46 Asn N 19335 1 43 . 1 1 48 48 ARG N N 15 0.1437 0.0029 . . . . 47 Arg N 19335 1 44 . 1 1 49 49 GLN N N 15 0.2025 0.0057 . . . . 48 Gln N 19335 1 45 . 1 1 50 50 VAL N N 15 0.1766 0.0037 . . . . 49 Val N 19335 1 46 . 1 1 51 51 CYS N N 15 0.1604 0.0006 . . . . 50 Cys N 19335 1 47 . 1 1 52 52 ALA N N 15 0.1875 0.0017 . . . . 51 Ala N 19335 1 48 . 1 1 53 53 ASN N N 15 0.1872 0.0054 . . . . 52 Asn N 19335 1 49 . 1 1 55 55 GLU N N 15 0.1516 0.0072 . . . . 54 Glu N 19335 1 50 . 1 1 56 56 LYS N N 15 0.1520 0.0084 . . . . 55 Lys N 19335 1 51 . 1 1 57 57 LYS N N 15 0.2005 0.0024 . . . . 56 Lys N 19335 1 52 . 1 1 58 58 TRP N N 15 0.1485 0.0036 . . . . 57 Trp N 19335 1 53 . 1 1 59 59 VAL N N 15 0.1813 0.0038 . . . . 58 Val N 19335 1 54 . 1 1 60 60 ARG N N 15 0.1582 0.0111 . . . . 59 Arg N 19335 1 55 . 1 1 61 61 GLU N N 15 0.1496 0.0080 . . . . 60 Glu N 19335 1 56 . 1 1 62 62 TYR N N 15 0.1864 0.0042 . . . . 61 Tyr N 19335 1 57 . 1 1 63 63 ILE N N 15 0.1680 0.0080 . . . . 62 Ile N 19335 1 58 . 1 1 64 64 ASN N N 15 0.1518 0.0065 . . . . 63 Asn N 19335 1 59 . 1 1 65 65 SER N N 15 0.1665 0.0105 . . . . 64 Ser N 19335 1 60 . 1 1 66 66 LEU N N 15 0.2061 0.0029 . . . . 65 Leu N 19335 1 61 . 1 1 67 67 SER N N 15 0.2016 0.0057 . . . . 66 Ser N 19335 1 62 . 1 1 68 68 MET N N 15 0.3735 0.0145 . . . . 67 Met N 19335 1 63 . 1 1 69 69 SER N N 15 0.6460 0.0457 . . . . 68 Ser N 19335 1 stop_ save_